methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H18N2O3S3 MolecularWeight: 418.55282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N2O3S3/c1-24-18(23)16-11-6-2-4-8-13(11)26-17(16)21-15(22)10-25-19-20-12-7-3-5-9-14(12)27-19/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,21,22)