methyl 3-[(4-nitrophenyl)carbonylamino]-3-sulfanylidene-2-(triphenyl-$l^{5}-phosphanylidene)propanoate

Systemtic Name: methyl 3-[(4-nitrophenyl)carbonylamino]-3-sulfanylidene-2-(triphenyl-$l^{5}-phosphanylidene)propanoate Openeye Name: methyl 3-[(4-nitrobenzoyl)amino]-3-thioxo-2-(triphenyl-$l^{5}-phosphanylidene)propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]-3-sulfanylidene-2-triphenylphosphoranylidenepropanoic acid methyl ester IUPAC Name: methyl 3-[(4-nitrobenzoyl)amino]-3-sulfanylidene-2-(triphenyl-$l^{5}-phosphanylidene)propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]-3-thioxo-2-triphenylphosphoranylidene-propionic acid methyl ester Formula: C29H23N2O5PS MolecularWeight: 542.542081

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H23N2O5PS/c1-36-29(33)26(28(38)30-27(32)21-17-19-22(20-18-21)31(34)35)37(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3,(H,30,32,38)