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

Systemtic Name: methyl 3-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C23H26N2O5S/c1-28-18-12-11-15(13-19(18)29-2)17(14-23(27)30-3)24-21(26)9-6-10-22-25-16-7-4-5-8-20(16)31-22/h4-5,7-8,11-13,17H,6,9-10,14H2,1-3H3,(H,24,26)