4-[[3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(2-methoxyanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butyrate Formula: C20H21N2O5S- MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-27-14-8-4-3-7-13(14)21-19(26)18-12-6-2-5-9-15(12)28-20(18)22-16(23)10-11-17(24)25/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)/p-1