[2-oxidanylidene-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[[3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C27H30N2O5S MolecularWeight: 494.6025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C

InChI

InChI=1S/C27H30N2O5S/c1-5-19-16(4)23(17-10-6-8-12-20(17)28-19)26(31)33-14-22(30)29-25-24(27(32)34-15(2)3)18-11-7-9-13-21(18)35-25/h6,8,10,12,15H,5,7,9,11,13-14H2,1-4H3,(H,29,30)