[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanylbenzoate

Systemtic Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanylbenzoate Openeye Name: [1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-keto-1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C18H17N3O3S/c1-10-6-7-14-15(8-10)25-18(20-14)21-16(22)11(2)24-17(23)12-4-3-5-13(19)9-12/h3-9,11H,19H2,1-2H3,(H,20,21,22)