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

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-(2-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-keto-2-(o-phenetidino)ethyl] ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O4S2/c1-2-27-16-9-5-3-7-14(16)23-20(25)13-28-22(26)19-12-11-18(29-19)21-24-15-8-4-6-10-17(15)30-21/h3-12H,2,13H2,1H3,(H,23,25)