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

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-methylbenzoate Traditional Name: 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N3O3S/c1-11-8-9-13(18(24)25-3)10-15(11)21-17(23)12(2)20-19-22-14-6-4-5-7-16(14)26-19/h4-10,12H,1-3H3,(H,20,22)(H,21,23)