methyl 3-chloranyl-6-[[1-[(2-methylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[1-[(2-methylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-[(2-methylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-13-5-3-4-6-17(13)30-12-26-10-9-16(25-26)21(27)24-14-7-8-15-18(11-14)31-20(19(15)23)22(28)29-2/h3-11H,12H2,1-2H3,(H,24,27)