ethyl 3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]-3-thiophen-3-yl-propanoate

Systemtic Name: ethyl 3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]-3-thiophen-3-yl-propanoate Openeye Name: ethyl 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]acetyl]amino]-3-(3-thienyl)propanoate CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-1-oxoethyl]amino]-3-(3-thiophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]-3-thiophen-3-ylpropanoate Traditional Name: 3-[[2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]acetyl]amino]-3-(3-thienyl)propionic acid ethyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CSC=C1)NC(=O)CC2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CSC=C1)NC(=O)CC2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H28N4O4S/c1-2-31-21(29)13-19(17-9-11-32-14-17)26-20(28)12-16-4-3-10-27(23(16)30)18-7-5-15(6-8-18)22(24)25/h5-9,11,14,16,19H,2-4,10,12-13H2,1H3,(H3,24,25)(H,26,28)