3-[[1-[(5-chloranylthiophen-2-yl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-[(5-chloranylthiophen-2-yl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[1-[(5-chloro-2-thienyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[1-[(5-chloro-2-thiophenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[(5-chlorothiophen-2-yl)methyl]-2-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[1-[(5-chloro-2-thienyl)methyl]-2-keto-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=C(S3)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-13-4-6-14(7-5-13)17(11-19(26)27)24-21(29)23-16-3-2-10-25(20(16)28)12-15-8-9-18(22)30-15/h2-10,17H,11-12H2,1H3,(H,26,27)(H2,23,24,29)