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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-6-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-phenyl)-2,5-dioxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-6-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-2,5-dioxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-2,5-dioxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-6-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-phenyl)-2,5-diketo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-6-carboxylic acid ethyl ester Formula: C30H26ClNO6S MolecularWeight: 564.04854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC(=C(C=C3)C)Cl)C4=CC5=C(C=C4)OCO5)C6=CC=CS6

Isomeric SMILES

CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC(=C(C=C3)C)Cl)C4=CC5=C(C=C4)OCO5)C6=CC=CS6

InChI

InChI=1S/C30H26ClNO6S/c1-3-36-30(35)28-20(25-5-4-10-39-25)13-22-27(29(28)34)19(17-7-9-23-24(11-17)38-15-37-23)14-26(33)32(22)18-8-6-16(2)21(31)12-18/h4-12,19-20,28H,3,13-15H2,1-2H3