ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H16N4O3S2/c1-2-26-17(25)11-7-8-14-15(9-11)28-19(22-14)23-16(24)10-27-18-20-12-5-3-4-6-13(12)21-18/h3-9H,2,10H2,1H3,(H,20,21)(H,22,23,24)