methyl 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]thiazole-5-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C15H13N3O3S3 MolecularWeight: 379.47702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H13N3O3S3/c1-21-14(20)11-6-16-15(24-11)18-12(19)7-22-8-13-17-9-4-2-3-5-10(9)23-13/h2-6H,7-8H2,1H3,(H,16,18,19)