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

Systemtic Name: ethyl (2Z)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl (2Z)-2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylimino]-3,4-dimethyl-thiazole-5-carboxylate CAS Name: (2Z)-2-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: (2Z)-2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylimino]-3,4-dimethyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C18H16ClN3O3S3 MolecularWeight: 453.98594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S3/c1-4-25-16(24)13-9(2)22(3)18(28-13)21-17(26)20-15(23)14-12(19)10-7-5-6-8-11(10)27-14/h5-8H,4H2,1-3H3,(H,20,23,26)/b21-18-