2-(2-azanylnaphthalen-1-yl)-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid

Systemtic Name: 2-(2-azanylnaphthalen-1-yl)-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid Openeye Name: 2-(2-amino-1-naphthyl)-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propanoic acid CAS Name: 2-(2-amino-1-naphthalenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid IUPAC Name: 2-(2-aminonaphthalen-1-yl)-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid Traditional Name: 2-(2-amino-1-naphthyl)-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propionic acid Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC3=CC=CC=C32)N)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC3=CC=CC=C32)N)(C(=O)O)O

InChI

InChI=1S/C20H17NO4S/c1-25-14-9-6-13(7-10-14)18(26)20(24,19(22)23)17-15-5-3-2-4-12(15)8-11-16(17)21/h2-11,24H,21H2,1H3,(H,22,23)