ethyl 5-[(5-chloranylthiophen-2-yl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-chloranylthiophen-2-yl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(5-chlorothiophene-2-carbonyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-chlorothiophene-2-carbonyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(5-chlorothiophene-2-carbonyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C14H11ClN2O3S3 MolecularWeight: 386.89674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(S2)Cl)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(S2)Cl)SC#N)C

InChI

InChI=1S/C14H11ClN2O3S3/c1-3-20-14(19)11-7(2)10(21-6-16)13(23-11)17-12(18)8-4-5-9(15)22-8/h4-5H,3H2,1-2H3,(H,17,18)