methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H23N3O3S/c1-29-23(28)19(13-15-14-24-17-8-3-2-7-16(15)17)25-21(27)11-6-12-22-26-18-9-4-5-10-20(18)30-22/h2-5,7-10,14,19,24H,6,11-13H2,1H3,(H,25,27)