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

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18N2O4S3 MolecularWeight: 434.55222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O4S3/c1-4-25-18(24)15-10(2)16(11(3)22)28-17(15)21-14(23)9-26-19-20-12-7-5-6-8-13(12)27-19/h5-8H,4,9H2,1-3H3,(H,21,23)