[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C20H22N4O4S/c1-28-18-10-9-16(24(26)27)13-17(18)22-19(25)14-29-20(23-11-5-6-12-23)21-15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,25)