2-[[4-[(5-ethyl-3H-1,3,4-thiadiazol-2-ylidene)azaniumylsulfonyl]phenyl]carbamoyl]benzoate

Systemtic Name: 2-[[4-[(5-ethyl-3H-1,3,4-thiadiazol-2-ylidene)azaniumylsulfonyl]phenyl]carbamoyl]benzoate Openeye Name: 2-[[4-[(5-ethyl-3H-1,3,4-thiadiazol-2-ylidene)ammoniosulfonyl]phenyl]carbamoyl]benzoate CAS Name: 2-[[4-[(5-ethyl-3H-1,3,4-thiadiazol-2-ylidene)ammoniosulfonyl]anilino]-oxomethyl]benzoate IUPAC Name: 2-[[4-[(5-ethyl-3H-1,3,4-thiadiazol-2-ylidene)azaniumylsulfonyl]phenyl]carbamoyl]benzoate Traditional Name: 2-[[4-[(5-ethyl-3H-1,3,4-thiadiazol-2-ylidene)ammoniosulfonyl]phenyl]carbamoyl]benzoate Formula: C18H16N4O5S2 MolecularWeight: 432.47344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=[NH+]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)[O-])S1

Isomeric SMILES

CCC1=NNC(=[NH+]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)[O-])S1

InChI

InChI=1S/C18H16N4O5S2/c1-2-15-20-21-18(28-15)22-29(26,27)12-9-7-11(8-10-12)19-16(23)13-5-3-4-6-14(13)17(24)25/h3-10H,2H2,1H3,(H,19,23)(H,21,22)(H,24,25)