methyl 2-[2-[2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[2-keto-2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]ethyl]thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H28N4O7S3 MolecularWeight: 592.70742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSCC(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CCOC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSCC(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CCOC

InChI

InChI=1S/C25H28N4O7S3/c1-14-4-6-16-18(10-14)38-23(22(16)24(32)36-3)26-20(30)12-37-13-21(31)27-25-28(8-9-35-2)17-7-5-15(29(33)34)11-19(17)39-25/h5,7,11,14H,4,6,8-10,12-13H2,1-3H3,(H,26,30)