methyl 2-[[1-(1-azanylethenyl)piperidin-3-yl]methyl]-3-[(4-pyridin-3-ylthiophen-2-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[[1-(1-azanylethenyl)piperidin-3-yl]methyl]-3-[(4-pyridin-3-ylthiophen-2-yl)carbonylamino]butanoate Openeye Name: methyl 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[[4-(3-pyridyl)thiophene-2-carbonyl]amino]butanoate CAS Name: 2-[[1-(1-aminoethenyl)-3-piperidinyl]methyl]-3-[[oxo-[4-(3-pyridinyl)-2-thiophenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[1-(1-aminoethenyl)piperidin-3-yl]methyl]-3-[(4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate Traditional Name: 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[[4-(3-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(=CS2)C3=CN=CC=C3

Isomeric SMILES

CC(C(CC1CCCN(C1)C(=C)N)C(=O)OC)NC(=O)C2=CC(=CS2)C3=CN=CC=C3

InChI

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