O4-ethyl O2-prop-2-enyl 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H26N2O5S/c1-4-12-30-23(28)20-15(3)19(22(27)29-5-2)21(31-20)24-18(26)14-25-11-10-16-8-6-7-9-17(16)13-25/h4,6-9H,1,5,10-14H2,2-3H3,(H,24,26)