5-[(Z)-N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(Z)-N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(Z)-N-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1Z)-1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(Z)-N-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(Z)-N-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-C-methyl-carbonimidoyl]-2-thenoic acid Formula: C16H13N3O3S3 MolecularWeight: 391.48772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=NC2=CC=CC=C2S1)C3=CC=C(S3)C(=O)O

Isomeric SMILES

C/C(=N/NC(=O)CSC1=NC2=CC=CC=C2S1)/C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C16H13N3O3S3/c1-9(11-6-7-13(24-11)15(21)22)18-19-14(20)8-23-16-17-10-4-2-3-5-12(10)25-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)/b18-9-