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

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(4-pyridin-2-ylthiophen-2-yl)carbonylamino]butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-[[4-(2-pyridyl)thiophene-2-carbonyl]amino]butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[oxo-[4-(2-pyridinyl)-2-thiophenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[(4-pyridin-2-ylthiophene-2-carbonyl)amino]butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-[[4-(2-pyridyl)thiophene-2-carbonyl]amino]butyric acid methyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CC(=CS2)C3=CC=CC=N3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CC(=CS2)C3=CC=CC=N3

InChI

InChI=1S/C24H25N3O3S/c1-15(25)18-8-6-7-17(11-18)12-20(24(29)30-3)16(2)27-23(28)22-13-19(14-31-22)21-9-4-5-10-26-21/h4-11,13-14,16,20H,1,12,25H2,2-3H3,(H,27,28)