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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC(=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC(=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c24-17(11-6-12-18(25)26)23-21-19(15-9-4-5-10-16(15)28-21)20(27)22-13-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2,(H,22,27)(H,23,24)(H,25,26)/p-1