ethyl 3,4-dimethyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylcarbamothioylimino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 3,4-dimethyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylcarbamothioylimino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-2-[(5-nitrobenzothiophene-2-carbonyl)carbamothioylimino]thiazole-5-carboxylate CAS Name: 3,4-dimethyl-2-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]imino-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-2-[(5-nitro-1-benzothiophene-2-carbonyl)carbamothioylimino]-1,3-thiazole-5-carboxylate Traditional Name: 3,4-dimethyl-2-[(5-nitrobenzothiophene-2-carbonyl)thiocarbamoylimino]-4-thiazoline-5-carboxylic acid ethyl ester Formula: C18H16N4O5S3 MolecularWeight: 464.53844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=S)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S1)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC(=S)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S1)C)C

InChI

InChI=1S/C18H16N4O5S3/c1-4-27-16(24)14-9(2)21(3)18(30-14)20-17(28)19-15(23)13-8-10-7-11(22(25)26)5-6-12(10)29-13/h5-8H,4H2,1-3H3,(H,19,23,28)