methyl 3-[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H20BrN3O4S MolecularWeight: 454.3381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C18H20BrN3O4S/c1-11-8-12(19)4-5-13(11)20-15(23)9-22(2)10-16(24)21-14-6-7-27-17(14)18(25)26-3/h4-8H,9-10H2,1-3H3,(H,20,23)(H,21,24)