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

Systemtic Name: diethyl 5-[2-[2-[[6-ethoxy-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[2-[[6-ethoxy-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[2-[[6-ethoxy-3-(2-methoxy-2-oxoethyl)-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-ethoxy-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[2-[[6-ethoxy-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-keto-ethyl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H31N3O9S3 MolecularWeight: 637.74474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC)S2)CC(=O)OC

InChI

InChI=1S/C27H31N3O9S3/c1-6-37-16-9-10-17-18(11-16)41-27(30(17)12-21(33)36-5)29-20(32)14-40-13-19(31)28-24-22(25(34)38-7-2)15(4)23(42-24)26(35)39-8-3/h9-11H,6-8,12-14H2,1-5H3,(H,28,31)