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

Systemtic Name: phenethyl (3S,4R)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (3S,4R)-2-methyl-4-(5-methyl-2-thienyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (3S,4R)-2-methyl-4-(5-methyl-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (3S,4R)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (3S,4R)-5-keto-2-methyl-4-(5-methyl-2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(C(=NC3=C2C(=O)CCC3)C)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)[C@@H]2[C@@H](C(=NC3=C2C(=O)CCC3)C)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO3S/c1-15-11-12-20(29-15)23-21(16(2)25-18-9-6-10-19(26)22(18)23)24(27)28-14-13-17-7-4-3-5-8-17/h3-5,7-8,11-12,21,23H,6,9-10,13-14H2,1-2H3/t21-,23-/m1/s1