methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c1-28-22(27)18(12-14-13-23-16-7-3-2-6-15(14)16)24-20(26)10-11-21-25-17-8-4-5-9-19(17)29-21/h2-9,13,18,23H,10-12H2,1H3,(H,24,26)