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

Systemtic Name: 2-phenoxyethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-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 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C30H27NO6S MolecularWeight: 529.60348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCCOC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCCOC6=CC=CC=C6

InChI

InChI=1S/C30H27NO6S/c1-18-27(30(33)35-12-11-34-21-6-3-2-4-7-21)28(19-9-10-24-25(16-19)37-17-36-24)29-22(31-18)14-20(15-23(29)32)26-8-5-13-38-26/h2-10,13,16,20,28,31H,11-12,14-15,17H2,1H3