methyl (2R)-2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O3S2/c1-27-20(26)17(10-13-11-22-15-7-3-2-6-14(13)15)23-19(25)12-28-21-24-16-8-4-5-9-18(16)29-21/h2-9,11,17,22H,10,12H2,1H3,(H,23,25)/t17-/m1/s1