[4-methyl-5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [4-methyl-5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [4-methyl-5-(pyrrolidin-1-ylmethyl)-2-thienyl] 2-(benzyloxycarbonylamino)-3-hydroxy-propanoate CAS Name: 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid [4-methyl-5-(1-pyrrolidinylmethyl)-2-thiophenyl] ester IUPAC Name: [4-methyl-5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid [4-methyl-5-(pyrrolidinomethyl)-2-thienyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)OC(=O)C(CO)NC(=O)OCC2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CC1=C(SC(=C1)OC(=O)C(CO)NC(=O)OCC2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C21H26N2O5S/c1-15-11-19(29-18(15)12-23-9-5-6-10-23)28-20(25)17(13-24)22-21(26)27-14-16-7-3-2-4-8-16/h2-4,7-8,11,17,24H,5-6,9-10,12-14H2,1H3,(H,22,26)