7-[2-(2-benzamido-1,3-thiazol-5-yl)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 7-[2-(2-benzamido-1,3-thiazol-5-yl)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 7-[2-(2-benzamidothiazol-5-yl)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-[2-(2-benzamido-5-thiazolyl)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 7-[2-(2-benzamido-1,3-thiazol-5-yl)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 7-[2-(2-benzamidothiazol-5-yl)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1C(=O)O)C=C(C=C2)OCCC3=CN=C(S3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCC2=C(C1C(=O)O)C=C(C=C2)OCCC3=CN=C(S3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S/c1-26-11-9-15-7-8-17(13-19(15)20(26)22(28)29)30-12-10-18-14-24-23(31-18)25-21(27)16-5-3-2-4-6-16/h2-8,13-14,20H,9-12H2,1H3,(H,28,29)(H,24,25,27)