diethyl 5-[2-[2-[[6-ethoxycarbonyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[2-[[6-ethoxycarbonyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[2-[[6-ethoxycarbonyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[2-[[6-ethoxycarbonyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[2-[[6-ethoxycarbonyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[2-[[6-carbethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-keto-ethyl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C28H33N3O9S3 MolecularWeight: 651.77132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC)S2)CCOC

InChI

InChI=1S/C28H33N3O9S3/c1-6-38-25(34)17-9-10-18-19(13-17)42-28(31(18)11-12-37-5)30-21(33)15-41-14-20(32)29-24-22(26(35)39-7-2)16(4)23(43-24)27(36)40-8-3/h9-10,13H,6-8,11-12,14-15H2,1-5H3,(H,29,32)