ethyl 4-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S2/c1-2-26-17(25)13-8-10-15(11-9-13)20-16(24)12-27-19-23-22-18(28-19)21-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,20,24)(H,21,22)