propan-2-yl 2-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[(4-chloro-1,5-dimethyl-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-chloro-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1,5-dimethyl-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)Cl

InChI

InChI=1S/C18H22ClN3O3S/c1-9(2)25-18(24)13-11-7-5-6-8-12(11)26-17(13)20-16(23)15-14(19)10(3)22(4)21-15/h9H,5-8H2,1-4H3,(H,20,23)