methyl 2-[[1-(1-azanylethenyl)piperidin-3-yl]methyl]-3-[(5-pyridin-2-ylthiophen-2-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[[1-(1-azanylethenyl)piperidin-3-yl]methyl]-3-[(5-pyridin-2-ylthiophen-2-yl)carbonylamino]butanoate Openeye Name: methyl 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[[5-(2-pyridyl)thiophene-2-carbonyl]amino]butanoate CAS Name: 2-[[1-(1-aminoethenyl)-3-piperidinyl]methyl]-3-[[oxo-[5-(2-pyridinyl)-2-thiophenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[1-(1-aminoethenyl)piperidin-3-yl]methyl]-3-[(5-pyridin-2-ylthiophene-2-carbonyl)amino]butanoate Traditional Name: 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[[5-(2-pyridyl)thiophene-2-carbonyl]amino]butyric acid methyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1CCCN(C1)C(=C)N)C(=O)OC)NC(=O)C2=CC=C(S2)C3=CC=CC=N3

Isomeric SMILES

CC(C(CC1CCCN(C1)C(=C)N)C(=O)OC)NC(=O)C2=CC=C(S2)C3=CC=CC=N3

InChI

InChI=1S/C23H30N4O3S/c1-15(18(23(29)30-3)13-17-7-6-12-27(14-17)16(2)24)26-22(28)21-10-9-20(31-21)19-8-4-5-11-25-19/h4-5,8-11,15,17-18H,2,6-7,12-14,24H2,1,3H3,(H,26,28)