but-2-ynedioic acid; 4-(dimethylamino)-N-thiophen-3-yl-5,10-dihydrocyclohepta[b]indole-7-carboxamide

Systemtic Name: but-2-ynedioic acid; 4-(dimethylamino)-N-thiophen-3-yl-5,10-dihydrocyclohepta[b]indole-7-carboxamide Openeye Name: but-2-ynedioic acid; 4-(dimethylamino)-N-(3-thienyl)-5,10-dihydrocyclohepta[b]indole-7-carboxamide CAS Name: 2-butynedioic acid; 4-(dimethylamino)-N-(3-thiophenyl)-5,10-dihydrocyclohepta[b]indole-7-carboxamide IUPAC Name: but-2-ynedioic acid; 4-(dimethylamino)-N-thiophen-3-yl-5,10-dihydrocyclohepta[b]indole-7-carboxamide Traditional Name: but-2-ynedioic acid; 4-(dimethylamino)-N-(3-thienyl)-5,10-dihydrocyclohept[b]indole-7-carboxamide Formula: C24H21N3O5S MolecularWeight: 463.50564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1NC3=C2CC=CC(=C3)C(=O)NC4=CSC=C4.C(#CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1NC3=C2CC=CC(=C3)C(=O)NC4=CSC=C4.C(#CC(=O)O)C(=O)O

InChI

InChI=1S/C20H19N3OS.C4H2O4/c1-23(2)18-8-4-7-16-15-6-3-5-13(11-17(15)22-19(16)18)20(24)21-14-9-10-25-12-14;5-3(6)1-2-4(7)8/h3-5,7-12,22H,6H2,1-2H3,(H,21,24);(H,5,6)(H,7,8)