ethanedioic acid; ethyl 5-methyl-2-[2-(4-methyl-1,4-diazepan-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-methyl-2-[2-(4-methyl-1,4-diazepan-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 5-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 5-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C24H31N3O7S MolecularWeight: 505.58384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN3CCCN(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN3CCCN(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O3S.C2H2O4/c1-4-28-22(27)20-19(17-9-6-5-7-10-17)16(2)29-21(20)23-18(26)15-25-12-8-11-24(3)13-14-25;3-1(4)2(5)6/h5-7,9-10H,4,8,11-15H2,1-3H3,(H,23,26);(H,3,4)(H,5,6)