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

Systemtic Name: ethyl 2-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[6-(methylthio)-1,3-benzothiazol-2-yl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[6-(methylthio)-1,3-benzothiazol-2-yl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H15N3O2S3 MolecularWeight: 401.5256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C18H15N3O2S3/c1-3-23-16(22)10-4-6-12-14(8-10)25-17(19-12)21-18-20-13-7-5-11(24-2)9-15(13)26-18/h4-9H,3H2,1-2H3,(H,19,20,21)