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

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

Isomeric SMILES

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

InChI

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