methyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S/c1-14(24(2)13-19-23-17-6-4-5-7-18(17)28-19)20(25)22-12-15-8-10-16(11-9-15)21(26)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)