methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-26-16-11-13(21(25)28-3)15(12-17(16)27-2)22-19(24)9-6-10-20-23-14-7-4-5-8-18(14)29-20/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,22,24)