[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S/c1-2-12-7-9-13(10-8-12)17(22)23-11-16(21)20-18-19-14-5-3-4-6-15(14)24-18/h3-10H,2,11H2,1H3,(H,19,20,21)