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

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S3/c1-4-23-17(22)15-10(2)11(3)25-16(15)20-14(21)9-24-18-19-12-7-5-6-8-13(12)26-18/h5-8H,4,9H2,1-3H3,(H,20,21)