ethyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazole-6-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazole-6-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H20N2O3S2/c1-2-25-20(24)17-13-6-4-3-5-7-15(13)27-19(17)22-18(23)12-8-9-14-16(10-12)26-11-21-14/h8-11H,2-7H2,1H3,(H,22,23)