[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-methylbenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H14N2O3S/c1-11-6-2-3-7-12(11)16(21)22-10-15(20)19-17-18-13-8-4-5-9-14(13)23-17/h2-9H,10H2,1H3,(H,18,19,20)