(3S,4R)-2-(1-ethoxycarbonylpiperidin-4-yl)-1-oxidanylidene-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-2-(1-ethoxycarbonylpiperidin-4-yl)-1-oxidanylidene-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(1-ethoxycarbonyl-4-piperidyl)-1-oxo-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(1-ethoxycarbonyl-4-piperidinyl)-1-oxo-3-(3-thiophenyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(1-ethoxycarbonylpiperidin-4-yl)-1-oxo-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(1-carbethoxy-4-piperidyl)-1-keto-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CSC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CSC=C4

InChI

InChI=1S/C22H24N2O5S/c1-2-29-22(28)23-10-7-15(8-11-23)24-19(14-9-12-30-13-14)18(21(26)27)16-5-3-4-6-17(16)20(24)25/h3-6,9,12-13,15,18-19H,2,7-8,10-11H2,1H3,(H,26,27)/t18-,19-/m1/s1