[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H17N3O3S/c1-21(10-16-20-14-4-2-3-5-15(14)25-16)17(22)11-24-18(23)12-6-8-13(19)9-7-12/h2-9H,10-11,19H2,1H3