[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O4S/c1-2-27-17-13-11-16(12-14-17)23-20(25)15-28-22(26)10-6-5-9-21-24-18-7-3-4-8-19(18)29-21/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,23,25)