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

Systemtic Name: (2R)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3S/c1-12-10-13(20)6-7-14(12)22-17(24)11-21-18(25)15-4-2-8-23(15)19(26)16-5-3-9-27-16/h3,5-7,9-10,15H,2,4,8,11H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1