methyl 2-(thiomorpholin-4-ylcarbothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(thiomorpholin-4-ylcarbothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(thiomorpholine-4-carbothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[sulfanylidene(thiomorpholin-4-yl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(thiomorpholine-4-carbothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(thiomorpholine-4-carbothioylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C14H15N3O2S3 MolecularWeight: 353.4828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)N3CCSCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)N3CCSCC3

InChI

InChI=1S/C14H15N3O2S3/c1-19-12(18)9-2-3-10-11(8-9)22-13(15-10)16-14(20)17-4-6-21-7-5-17/h2-3,8H,4-7H2,1H3,(H,15,16,20)