phenethyl 4-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-methoxy-2-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-28-15-7-8-16(17(13-15)23(26)27)21-20(30)22-18(24)9-10-19(25)29-12-11-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,21,22,24,30)