[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=CSC=C3

InChI

InChI=1S/C21H26N2O3S/c24-20(15-26-21(25)10-5-17-11-14-27-16-17)22-18-6-8-19(9-7-18)23-12-3-1-2-4-13-23/h6-9,11,14,16H,1-5,10,12-13,15H2,(H,22,24)