ethyl (6R)-2-[(4-chloranyl-1-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-2-[(4-chloranyl-1-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-[(4-chloro-1-methyl-pyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-[(4-chloro-1-methylpyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(4-chloro-1-methyl-pyrazole-3-carbonyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=NN(C=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=S)NC(=O)C3=NN(C=C3Cl)C

InChI

InChI=1S/C18H21ClN4O3S2/c1-4-26-17(25)13-10-6-5-9(2)7-12(10)28-16(13)21-18(27)20-15(24)14-11(19)8-23(3)22-14/h8-9H,4-7H2,1-3H3,(H2,20,21,24,27)/t9-/m1/s1