phenethyl 2-methylidene-5-oxidanylidene-4,7-dithiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 2-methylidene-5-oxidanylidene-4,7-dithiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 2-methylene-5-oxo-4,7-bis(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-4,7-dithiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methylidene-5-oxo-4,7-dithiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4,7-bis(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C27H25NO3S2 MolecularWeight: 475.6223

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CS4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

C=C1C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CS4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C27H25NO3S2/c1-17-24(27(30)31-12-11-18-7-3-2-4-8-18)26(23-10-6-14-33-23)25-20(28-17)15-19(16-21(25)29)22-9-5-13-32-22/h2-10,13-14,19,24,26,28H,1,11-12,15-16H2