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

Systemtic Name: (phenylmethyl) (4S,7R)-2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (4S,7R)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,7R)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-4-(4-ketochromen-3-yl)-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid benzyl ester Formula: C31H25NO5S MolecularWeight: 523.5989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=COC5=CC=CC=C5C4=O)C(=O)CC(C2)C6=CC=CS6

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCC3=CC=CC=C3)C4=COC5=CC=CC=C5C4=O)C(=O)C[C@@H](C2)C6=CC=CS6

InChI

InChI=1S/C31H25NO5S/c1-18-27(31(35)37-16-19-8-3-2-4-9-19)28(22-17-36-25-11-6-5-10-21(25)30(22)34)29-23(32-18)14-20(15-24(29)33)26-12-7-13-38-26/h2-13,17,20,27-28H,14-16H2,1H3/t20-,27?,28+/m1/s1