ethyl 2-[2-[(5-azanyl-4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(5-azanyl-4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(5-amino-4-phenyl-thiazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(5-amino-4-phenyl-2-thiazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-amino-4-phenyl-thiazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(S2)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(S2)N)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S2/c1-2-26-19(25)14-10-6-7-11-15(14)22-16(24)12-27-20-23-17(18(21)28-20)13-8-4-3-5-9-13/h3-11H,2,12,21H2,1H3,(H,22,24)