methyl 4-[[2-(2-methoxyethyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(2-methoxyethyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinolin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(2-methoxyethyl)-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-(2-methoxyethyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinolin-4-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-methoxyethyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-keto-2-(2-methoxyethyl)-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carbonyl]amino]benzoic acid methyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CS4

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CS4

InChI

InChI=1S/C25H24N2O5S/c1-31-14-13-27-22(20-8-5-15-33-20)21(18-6-3-4-7-19(18)24(27)29)23(28)26-17-11-9-16(10-12-17)25(30)32-2/h3-12,15,21-22H,13-14H2,1-2H3,(H,26,28)