(phenylmethyl) 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-[(4-methylthiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(4-methylthiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-15-14-29-21(23-15)24-20(26)19-11-17-9-5-6-10-18(17)12-25(19)22(27)28-13-16-7-3-2-4-8-16/h2-10,14,19H,11-13H2,1H3,(H,23,24,26)