[5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-azanyl-5-bromanyl-benzoate Openeye Name: [5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [5-[(4-ethylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester IUPAC Name: [5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl ester Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)C3=C(C=CC(=C3)Br)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)C3=C(C=CC(=C3)Br)N

InChI

InChI=1S/C19H17BrN4O3S/c1-2-11-3-6-13(7-4-11)22-17(25)18-24-23-16(28-18)10-27-19(26)14-9-12(20)5-8-15(14)21/h3-9H,2,10,21H2,1H3,(H,22,25)