(phenylmethyl) 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c1-17-11-12-21-23(13-17)33-25(27-21)28-24(30)22-14-19-9-5-6-10-20(19)15-29(22)26(31)32-16-18-7-3-2-4-8-18/h2-13,22H,14-16H2,1H3,(H,27,28,30)