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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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