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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O3S2/c1-2-3-10-19-16(21)11-23-18(22)15-9-8-14(24-15)17-20-12-6-4-5-7-13(12)25-17/h4-9H,2-3,10-11H2,1H3,(H,19,21)