methyl 2-[(2-oxidanylideneindol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-oxidanylideneindol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-oxoindol-3-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-oxo-3-indolyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-oxoindol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-ketoindol-3-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC3=C4C=CC=CC4=NC3=O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC3=C4C=CC=CC4=NC3=O

InChI

InChI=1S/C18H16N2O3S/c1-23-18(22)14-11-7-3-5-9-13(11)24-17(14)20-15-10-6-2-4-8-12(10)19-16(15)21/h2,4,6,8H,3,5,7,9H2,1H3,(H,19,20,21)