2-[6,7-diethoxy-2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[6,7-diethoxy-2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[6,7-diethoxy-2-[(2-methoxycarbonyl-3-thienyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[6,7-diethoxy-2-[[(2-methoxycarbonyl-3-thiophenyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[6,7-diethoxy-2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(2-carbomethoxy-3-thienyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=C(SC=C3)C(=O)OC)CC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=C(SC=C3)C(=O)OC)CC(=O)O)OCC

InChI

InChI=1S/C22H26N2O7S/c1-4-30-17-10-13-6-8-24(16(12-19(25)26)14(13)11-18(17)31-5-2)22(28)23-15-7-9-32-20(15)21(27)29-3/h7,9-11,16H,4-6,8,12H2,1-3H3,(H,23,28)(H,25,26)