ethyl (1S,6S)-6-(3-nitrophenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-6-(3-nitrophenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(3-nitrophenyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(3-nitrophenyl)-2-oxo-4-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(3-nitrophenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-2-keto-6-(3-nitrophenyl)-4-(2-thienyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO5S/c1-2-25-19(22)18-15(12-5-3-6-14(9-12)20(23)24)10-13(11-16(18)21)17-7-4-8-26-17/h3-9,11,15,18H,2,10H2,1H3/t15-,18+/m1/s1