methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanoate

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate CAS Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(1-pyrrolidinylmethyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(pyrrolidinomethyl)phenyl]acetic acid methyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)CN2CCCC2)SC3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)CN2CCCC2)SC3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C22H24N4O3S/c1-29-21(28)19(15-9-7-14(8-10-15)13-26-11-2-3-12-26)30-22-24-17-6-4-5-16(20(23)27)18(17)25-22/h4-10,19H,2-3,11-13H2,1H3,(H2,23,27)(H,24,25)