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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19N3O4S3 MolecularWeight: 449.56686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S3/c1-10-14(18(25)26-4)16(29-15(10)17(24)22(2)3)21-13(23)9-27-19-20-11-7-5-6-8-12(11)28-19/h5-8H,9H2,1-4H3,(H,21,23)