(2S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C20H22BrN3O3S/c1-13-11-14(21)7-8-15(13)22-18(25)12-23(2)19(26)16-5-3-9-24(16)20(27)17-6-4-10-28-17/h4,6-8,10-11,16H,3,5,9,12H2,1-2H3,(H,22,25)/t16-/m0/s1