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

Systemtic Name: (4-methoxyphenyl)methyl 2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl 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 (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 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 p-anisyl ester Formula: C27H25NO4S2 MolecularWeight: 491.6217

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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)OCC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC=CS4)C(=O)OCC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H25NO4S2/c1-16-24(27(30)32-15-17-7-9-19(31-2)10-8-17)26(23-6-4-12-34-23)25-20(28-16)13-18(14-21(25)29)22-5-3-11-33-22/h3-13,18,25-26,28H,14-15H2,1-2H3