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

Systemtic Name: ethyl 2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H15N3O2S3 MolecularWeight: 401.5256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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