3-[4-[2-azanyl-3-(5-chloranyl-3-methoxy-thiophen-2-yl)-3-oxidanylidene-propyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-azanyl-3-(5-chloranyl-3-methoxy-thiophen-2-yl)-3-oxidanylidene-propyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-amino-3-(5-chloro-3-methoxy-2-thienyl)-3-oxo-propyl]phenyl]propanoic acid CAS Name: 3-[4-[2-amino-3-(5-chloro-3-methoxy-2-thiophenyl)-3-oxopropyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-amino-3-(5-chloro-3-methoxythiophen-2-yl)-3-oxopropyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-amino-3-(5-chloro-3-methoxy-2-thienyl)-3-keto-propyl]phenyl]propionic acid Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC(=C1)Cl)C(=O)C(CC2=CC=C(C=C2)CCC(=O)O)N

Isomeric SMILES

COC1=C(SC(=C1)Cl)C(=O)C(CC2=CC=C(C=C2)CCC(=O)O)N

InChI

InChI=1S/C17H18ClNO4S/c1-23-13-9-14(18)24-17(13)16(22)12(19)8-11-4-2-10(3-5-11)6-7-15(20)21/h2-5,9,12H,6-8,19H2,1H3,(H,20,21)