methyl 2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(methylthio)-1,3-benzothiazol-2-yl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[4-(methylthio)-1,3-benzothiazol-2-yl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H13N3O2S3 MolecularWeight: 387.49902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C17H13N3O2S3/c1-22-15(21)9-6-7-10-13(8-9)25-16(18-10)20-17-19-14-11(23-2)4-3-5-12(14)24-17/h3-8H,1-2H3,(H,18,19,20)