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

Systemtic Name: methyl 4-[3-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O4S/c1-28-19(27)13-7-9-15(10-8-13)24-17(25)11-16(18(24)26)29-20(22-12-21)23-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,22,23)