(1-azanyl-1-oxidanylidene-propan-2-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S2/c1-11(16(19)21)23-17(22)13-8-6-12(7-9-13)10-24-18-20-14-4-2-3-5-15(14)25-18/h2-9,11H,10H2,1H3,(H2,19,21)