2-[(1-azanyl-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)carbonylamino]-4-methoxycarbonyl-benzoate

Systemtic Name: 2-[(1-azanyl-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)carbonylamino]-4-methoxycarbonyl-benzoate Openeye Name: 2-[[1-amino-5-(2-thienyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino]-4-methoxycarbonyl-benzoate CAS Name: 2-[[(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-oxomethyl]amino]-4-methoxycarbonylbenzoate IUPAC Name: 2-[(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl)amino]-4-methoxycarbonylbenzoate Traditional Name: 2-[[1-amino-5-(2-thienyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carbonyl]amino]-4-carbomethoxy-benzoate Formula: C25H20N3O5S2- MolecularWeight: 506.5734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)[O-])NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)C5=CC=CS5)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)[O-])NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)C5=CC=CS5)N

InChI

InChI=1S/C25H21N3O5S2/c1-33-25(32)12-8-9-15(24(30)31)16(11-12)27-22(29)21-19(26)18-13-5-2-3-6-14(13)20(28-23(18)35-21)17-7-4-10-34-17/h4,7-11H,2-3,5-6,26H2,1H3,(H,27,29)(H,30,31)/p-1