2-[2-azanyl-5-(thiophen-2-ylmethyl)phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid

Systemtic Name: 2-[2-azanyl-5-(thiophen-2-ylmethyl)phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid Openeye Name: 2-[2-amino-5-(2-thienylmethyl)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propanoic acid CAS Name: 2-[2-amino-5-(thiophen-2-ylmethyl)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid IUPAC Name: 2-[2-amino-5-(thiophen-2-ylmethyl)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid Traditional Name: 2-[2-amino-5-(2-thenyl)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propionic acid Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC(=C2)CC3=CC=CS3)N)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC(=C2)CC3=CC=CS3)N)(C(=O)O)O

InChI

InChI=1S/C21H19NO4S2/c1-26-15-7-5-14(6-8-15)19(27)21(25,20(23)24)17-12-13(4-9-18(17)22)11-16-3-2-10-28-16/h2-10,12,25H,11,22H2,1H3,(H,23,24)