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

Systemtic Name: 5-[[3-[(4-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-oxo-5-[[3-(p-tolylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]pentanoate CAS Name: 5-[[3-[(4-methylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[3-[(4-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[3-(p-tolylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]valerate Formula: C21H23N2O4S- MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-13-9-11-14(12-10-13)22-20(27)19-15-5-2-3-6-16(15)28-21(19)23-17(24)7-4-8-18(25)26/h9-12H,2-8H2,1H3,(H,22,27)(H,23,24)(H,25,26)/p-1