2-[[5-[(4-ethoxycarbonylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(4-ethoxycarbonylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-ethoxycarbonylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(4-ethoxycarbonylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methylthio]acetic acid IUPAC Name: 2-[[5-[(4-ethoxycarbonylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(4-carbethoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylthio]acetic acid Formula: C15H15N3O5S2 MolecularWeight: 381.4267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)O

InChI

InChI=1S/C15H15N3O5S2/c1-2-23-15(22)9-3-5-10(6-4-9)16-13(21)14-18-17-11(25-14)7-24-8-12(19)20/h3-6H,2,7-8H2,1H3,(H,16,21)(H,19,20)