tert-butyl 3-[(4-nitrophenyl)carbothioylamino]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-[(4-nitrophenyl)carbothioylamino]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[(4-nitrobenzenecarbothioyl)amino]-3-oxo-propanoate CAS Name: 3-[[(4-nitrophenyl)-sulfanylidenemethyl]amino]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-nitrobenzenecarbothioyl)amino]-3-oxopropanoate Traditional Name: 3-keto-3-[(4-nitrothiobenzoyl)amino]propionic acid tert-butyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)NC(=S)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)NC(=S)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c1-14(2,3)21-12(18)8-11(17)15-13(22)9-4-6-10(7-5-9)16(19)20/h4-7H,8H2,1-3H3,(H,15,17,22)