methyl 2-[(2-methylquinolin-7-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methylquinolin-7-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-methylquinoline-7-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-methyl-7-quinolinyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylquinoline-7-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-methylquinoline-7-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC

InChI

InChI=1S/C22H22N2O3S/c1-13-8-9-14-10-11-15(12-17(14)23-13)20(25)24-21-19(22(26)27-2)16-6-4-3-5-7-18(16)28-21/h8-12H,3-7H2,1-2H3,(H,24,25)