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

Systemtic Name: methyl 3-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O3S/c1-13-8-9-14(20(25)26-3)10-16(13)21-18(24)11-23(2)12-19-22-15-6-4-5-7-17(15)27-19/h4-10H,11-12H2,1-3H3,(H,21,24)