2-phenoxyethyl (4S,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl (4S,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(3-hydroxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C29H27NO5S MolecularWeight: 501.59338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)O)C(=O)OCCOC5=CC=CC=C5

Isomeric SMILES

CC1=C([C@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CS3)C4=CC(=CC=C4)O)C(=O)OCCOC5=CC=CC=C5

InChI

InChI=1S/C29H27NO5S/c1-18-26(29(33)35-13-12-34-22-9-3-2-4-10-22)27(19-7-5-8-21(31)15-19)28-23(30-18)16-20(17-24(28)32)25-11-6-14-36-25/h2-11,14-15,20,27,30-31H,12-13,16-17H2,1H3/t20-,27+/m0/s1