(phenylmethyl) (4R,7R)-2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (4R,7R)-2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (4R,7R)-2-methyl-5-oxo-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid benzyl ester Formula: C26H23NO3S2 MolecularWeight: 461.59572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC=CS4)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC3=CC=CC=C3)C4=CC=CS4)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C26H23NO3S2/c1-16-23(26(29)30-15-17-7-3-2-4-8-17)25(22-10-6-12-32-22)24-19(27-16)13-18(14-20(24)28)21-9-5-11-31-21/h2-12,18,23,25H,13-15H2,1H3/t18-,23?,25-/m1/s1