propan-2-yl 2-(ethanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-(ethanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-(acetylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[acetamido(sulfanylidene)methyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(acetylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(acetylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C

InChI

InChI=1S/C14H15N3O3S2/c1-7(2)20-12(19)9-4-5-10-11(6-9)22-14(16-10)17-13(21)15-8(3)18/h4-7H,1-3H3,(H2,15,16,17,18,21)