methyl (3R)-2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-methylthiazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(4-methyl-2-thiazolyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(4-methylthiazol-2-yl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C17H18N2O3S2/c1-11-9-23-17(18-11)24-10-15(20)19-8-13-6-4-3-5-12(13)7-14(19)16(21)22-2/h3-6,9,14H,7-8,10H2,1-2H3/t14-/m1/s1