(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (2-thioxo-1,3-benzothiazol-3-yl)methyl (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-acetamido-3-(1H-indol-3-yl)propanoic acid (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl ester IUPAC Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-acetamido-3-(1H-indol-3-yl)propionic acid (2-thioxo-1,3-benzothiazol-3-yl)methyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCN3C4=CC=CC=C4SC3=S

Isomeric SMILES

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OCN3C4=CC=CC=C4SC3=S

InChI

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