butyl 4-[3-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: butyl 4-[3-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: butyl 4-[3-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[(cyanoamino)-phenyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(N-cyano-N'-phenylcarbamimidoyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(N-cyano-N'-phenyl-amidino)thio]-2,5-diketo-pyrrolidino]benzoic acid butyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

InChI

InChI=1S/C23H22N4O4S/c1-2-3-13-31-22(30)16-9-11-18(12-10-16)27-20(28)14-19(21(27)29)32-23(25-15-24)26-17-7-5-4-6-8-17/h4-12,19H,2-3,13-14H2,1H3,(H,25,26)