2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: 2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2-methylene-5-oxo-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(2,3-dimethoxyphenyl)-2-methylene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2-methylidene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(2,3-dimethoxyphenyl)-5-keto-2-methylene-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C31H31NO6S MolecularWeight: 545.64594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C(C(=C)NC3=C2C(=O)CC(C3)C4=CC=CS4)C(=O)OCCOC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1OC)C2C(C(=C)NC3=C2C(=O)CC(C3)C4=CC=CS4)C(=O)OCCOC5=CC=CC=C5

InChI

InChI=1S/C31H31NO6S/c1-19-27(31(34)38-15-14-37-21-9-5-4-6-10-21)28(22-11-7-12-25(35-2)30(22)36-3)29-23(32-19)17-20(18-24(29)33)26-13-8-16-39-26/h4-13,16,20,27-28,32H,1,14-15,17-18H2,2-3H3