propan-2-yl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzoic acid isopropyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2

InChI

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