phenethyl 2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 2-methyl-5-oxo-4,7-bis(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methyl-5-oxo-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4,7-bis(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C27H25NO3S2 MolecularWeight: 475.6223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC=CS4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)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/h2-10,13-15,19,25-26,28H,11-12,16H2,1H3