ethyl (2S)-3-azanylidene-2-[(4-nitrophenyl)carbamothioyl]butanoate

Systemtic Name: ethyl (2S)-3-azanylidene-2-[(4-nitrophenyl)carbamothioyl]butanoate Openeye Name: ethyl (2S)-3-imino-2-[(4-nitrophenyl)carbamothioyl]butanoate CAS Name: (2S)-3-imino-2-[(4-nitroanilino)-sulfanylidenemethyl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-imino-2-[(4-nitrophenyl)carbamothioyl]butanoate Traditional Name: (2S)-3-imino-2-[(4-nitrophenyl)thiocarbamoyl]butyric acid ethyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=N)C)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C(=N)C)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-3-20-13(17)11(8(2)14)12(21)15-9-4-6-10(7-5-9)16(18)19/h4-7,11,14H,3H2,1-2H3,(H,15,21)/t11-/m1/s1