methyl 3-chloranyl-6-(ethylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(ethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(ethylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[ethylamino(sulfanylidene)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(ethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(ethylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C13H13ClN2O2S2 MolecularWeight: 328.83752

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Isomeric SMILES

CCNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

InChI

InChI=1S/C13H13ClN2O2S2/c1-3-15-13(19)16-7-4-5-8-9(6-7)20-11(10(8)14)12(17)18-2/h4-6H,3H2,1-2H3,(H2,15,16,19)