ethyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-bromanyl-1-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-bromanyl-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-6-bromo-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-bromo-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C15H15BrN4O3S2 MolecularWeight: 443.3386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=NN=C(S3)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=NN=C(S3)N

InChI

InChI=1S/C15H15BrN4O3S2/c1-3-23-13(22)12-7-4-11(21)8(16)5-9(7)20(2)10(12)6-24-15-19-18-14(17)25-15/h4-5,21H,3,6H2,1-2H3,(H2,17,18)