ethyl 4-[5-[(E)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[5-[(E)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-3-nitro-benzoate Openeye Name: ethyl 4-[5-[(E)-(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-furyl]-3-nitro-benzoate CAS Name: 4-[5-[(E)-(2-amino-4-oxo-5-thiazolylidene)methyl]-2-furanyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-3-nitrobenzoate Traditional Name: 4-[5-[(E)-(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-furyl]-3-nitro-benzoic acid ethyl ester Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=O)N=C(S3)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)N=C(S3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c1-2-25-16(22)9-3-5-11(12(7-9)20(23)24)13-6-4-10(26-13)8-14-15(21)19-17(18)27-14/h3-8H,2H2,1H3,(H2,18,19,21)/b14-8+