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

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzothiazole-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1,3-benzothiazol-2-yl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazole-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(1,3-benzothiazole-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N2O3S2/c1-24-19(23)15-11-7-3-2-4-9-13(11)25-17(15)21-16(22)18-20-12-8-5-6-10-14(12)26-18/h5-6,8,10H,2-4,7,9H2,1H3,(H,21,22)