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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O3S2/c23-18(22-11-5-1-2-6-12-22)13-25-20(24)17-10-9-16(26-17)19-21-14-7-3-4-8-15(14)27-19/h3-4,7-10H,1-2,5-6,11-13H2