methyl (3S)-3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: methyl (3S)-3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-methylphenyl)propanoate Openeye Name: methyl (3S)-3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(p-tolyl)propanoate CAS Name: (3S)-3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-methylphenyl)propanoate Traditional Name: (3S)-3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(p-tolyl)propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-14-7-9-15(10-8-14)17(13-21(25)26-2)22-19(24)11-12-20-23-16-5-3-4-6-18(16)27-20/h3-10,17H,11-13H2,1-2H3,(H,22,24)/t17-/m0/s1