[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4,7-bis(oxidanylidene)-7-thiophen-2-yl-heptanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4,7-bis(oxidanylidene)-7-thiophen-2-yl-heptanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 4,7-dioxo-7-(2-thienyl)heptanoate CAS Name: 4,7-dioxo-7-thiophen-2-ylheptanoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 4,7-dioxo-7-thiophen-2-ylheptanoate Traditional Name: 4,7-diketo-7-(2-thienyl)enanthic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)CCC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)CCC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C21H22N2O6S/c24-16(8-10-17(25)18-7-4-12-30-18)9-11-20(27)29-14-19(26)23-21(28)22-13-15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H2,22,23,26,28)