ethyl (1S,6S)-2-oxidanylidene-6-phenyl-4-[(E)-2-thiophen-2-ylethenyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-2-oxidanylidene-6-phenyl-4-[(E)-2-thiophen-2-ylethenyl]cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-2-oxo-6-phenyl-4-[(E)-2-(2-thienyl)vinyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-2-oxo-6-phenyl-4-[(E)-2-thiophen-2-ylethenyl]-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-2-oxo-6-phenyl-4-[(E)-2-thiophen-2-ylethenyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-2-keto-6-phenyl-4-[(E)-2-(2-thienyl)vinyl]cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C=CC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20O3S/c1-2-24-21(23)20-18(16-7-4-3-5-8-16)13-15(14-19(20)22)10-11-17-9-6-12-25-17/h3-12,14,18,20H,2,13H2,1H3/b11-10+/t18-,20+/m1/s1