[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C19H19N3O6S/c1-12-7-8-14(13(2)9-12)20-19(25)21-17(23)10-28-18(24)11-29-16-6-4-3-5-15(16)22(26)27/h3-9H,10-11H2,1-2H3,(H2,20,21,23,25)