ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-[(phenylmethyl)carbamoylamino]propanoate

Systemtic Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-[(phenylmethyl)carbamoylamino]propanoate Openeye Name: ethyl 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(benzylcarbamoylamino)-3-hydroxy-propanoate CAS Name: 3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxy-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-(benzylcarbamoylamino)-3-hydroxypropanoate Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(benzylcarbamoylamino)-3-hydroxy-propionic acid ethyl ester Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O4S/c1-2-31-23(29)21(26-24(30)25-16-18-10-6-5-7-11-18)22(28)20-13-12-19(32-20)17-27-14-8-3-4-9-15-27/h5-7,10-13,21-22,28H,2-4,8-9,14-17H2,1H3,(H2,25,26,30)