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

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H15N3O3S3 MolecularWeight: 429.5357

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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=C4S3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N3O3S3/c1-2-25-17(24)11-7-8-13-15(9-11)27-18(20-13)22-16(23)10-26-19-21-12-5-3-4-6-14(12)28-19/h3-9H,2,10H2,1H3,(H,20,22,23)