dimethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(2-methoxy-2-oxidanylidene-ethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(2-methoxy-2-oxidanylidene-ethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(2-methoxy-2-oxo-ethyl)thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-(2-keto-2-methoxy-ethyl)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H18N2O7S3 MolecularWeight: 494.56112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H18N2O7S3/c1-27-14(24)8-10-15(18(25)28-2)17(32-16(10)19(26)29-3)22-13(23)9-30-20-21-11-6-4-5-7-12(11)31-20/h4-7H,8-9H2,1-3H3,(H,22,23)