ethyl (E)-4-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2-methoxy-5-nitrophenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[(2-methoxy-5-nitro-phenyl)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6S/c1-3-23-13(19)7-6-12(18)16-14(24)15-10-8-9(17(20)21)4-5-11(10)22-2/h4-8H,3H2,1-2H3,(H2,15,16,18,24)/b7-6+