4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(cyclohexylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C19H25N2O4S- MolecularWeight: 377.4778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H26N2O4S/c22-15(10-11-16(23)24)21-19-17(13-8-4-5-9-14(13)26-19)18(25)20-12-6-2-1-3-7-12/h12H,1-11H2,(H,20,25)(H,21,22)(H,23,24)/p-1