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

Systemtic Name: 4-[[3-[(4-methylphenyl)methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[[3-(p-tolylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butanoate CAS Name: 4-[[3-[[(4-methylphenyl)methylamino]-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(4-methylphenyl)methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-[(4-methylbenzyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butyrate Formula: C21H23N2O4S- MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-13-6-8-14(9-7-13)12-22-20(27)19-15-4-2-3-5-16(15)28-21(19)23-17(24)10-11-18(25)26/h6-9H,2-5,10-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/p-1