ethyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H15ClN2O3S3 MolecularWeight: 438.9713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C18H15ClN2O3S3/c1-3-24-17(23)14-9(2)8-12(27-14)20-18(25)21-16(22)15-13(19)10-6-4-5-7-11(10)26-15/h4-8H,3H2,1-2H3,(H2,20,21,22,25)