ethyl 2-benzamido-3-oxidanyl-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoate

Systemtic Name: ethyl 2-benzamido-3-oxidanyl-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoate Openeye Name: ethyl 2-benzamido-3-hydroxy-3-[5-(pyrrolidin-1-ylmethyl)-2-thienyl]propanoate CAS Name: 2-benzamido-3-hydroxy-3-[5-(1-pyrrolidinylmethyl)-2-thiophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-benzamido-3-hydroxy-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoate Traditional Name: 2-benzamido-3-hydroxy-3-[5-(pyrrolidinomethyl)-2-thienyl]propionic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCC2)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCC2)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-2-27-21(26)18(22-20(25)15-8-4-3-5-9-15)19(24)17-11-10-16(28-17)14-23-12-6-7-13-23/h3-5,8-11,18-19,24H,2,6-7,12-14H2,1H3,(H,22,25)