phenethyl 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: phenethyl 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: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C30H27NO5S MolecularWeight: 513.60408

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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)OCCC6=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)OCCC6=CC=CC=C6

InChI

InChI=1S/C30H27NO5S/c1-18-27(30(33)34-12-11-19-6-3-2-4-7-19)28(20-9-10-24-25(16-20)36-17-35-24)29-22(31-18)14-21(15-23(29)32)26-8-5-13-37-26/h2-10,13,16,21,28,31H,11-12,14-15,17H2,1H3