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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)C(C(=O)OC2=C(C=CC(=C2)CC3=CC=CS3)N)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)C(C(=O)OC2=C(C=CC(=C2)CC3=CC=CS3)N)O

InChI

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