methyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-methylphenyl)methylcarbamoyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-methylphenyl)methylcarbamoyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-5-(p-tolylmethylcarbamoyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-5-[(4-methylphenyl)methylcarbamoyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-5-[(4-methylbenzyl)carbamoyl]-1-(2-thenoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C27H27BrN2O5S MolecularWeight: 571.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

InChI

InChI=1S/C27H27BrN2O5S/c1-16-6-8-17(9-7-16)15-29-25(31)21-14-19(27(33)35-3)24(18-10-11-22(34-2)20(28)13-18)30(21)26(32)23-5-4-12-36-23/h4-13,19,21,24H,14-15H2,1-3H3,(H,29,31)