methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H20N2O3S3 MolecularWeight: 420.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCSC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H20N2O3S3/c1-11-12(2)26-17(16(11)18(23)24-3)21-15(22)9-6-10-25-19-20-13-7-4-5-8-14(13)27-19/h4-5,7-8H,6,9-10H2,1-3H3,(H,21,22)