oxolan-2-ylmethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: oxolan-2-ylmethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid tetrahydrofurfuryl ester Formula: C28H31NO6S MolecularWeight: 509.61384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5CCCO5)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5CCCO5)C)O

InChI

InChI=1S/C28H31NO6S/c1-3-33-23-14-17(8-9-21(23)30)26-25(28(32)35-15-19-6-4-10-34-19)16(2)29-20-12-18(13-22(31)27(20)26)24-7-5-11-36-24/h5,7-9,11,14,18-19,26,29-30H,3-4,6,10,12-13,15H2,1-2H3