2-[(1S)-2-(5-ethyl-4-methyl-thiophen-2-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[(1S)-2-(5-ethyl-4-methyl-thiophen-2-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[(1S)-2-(5-ethyl-4-methyl-thiophene-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[(1S)-2-[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[(1S)-2-(5-ethyl-4-methylthiophene-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[(1S)-2-(5-ethyl-4-methyl-thiophene-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CCC3=CC(=C(C=C3C2CC(=O)O)OC)OC)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CCC3=CC(=C(C=C3[C@@H]2CC(=O)O)OC)OC)C

InChI

InChI=1S/C21H25NO5S/c1-5-18-12(2)8-19(28-18)21(25)22-7-6-13-9-16(26-3)17(27-4)10-14(13)15(22)11-20(23)24/h8-10,15H,5-7,11H2,1-4H3,(H,23,24)/t15-/m0/s1