ethyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H13Cl2N3O3S3 MolecularWeight: 498.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C#N)C

InChI

InChI=1S/C19H13Cl2N3O3S3/c1-3-27-18(26)14-8(2)11(7-22)17(30-14)24-19(28)23-16(25)15-13(21)10-5-4-9(20)6-12(10)29-15/h4-6H,3H2,1-2H3,(H2,23,24,25,28)