methyl 3-chloranyl-6-[[5-[(2-methylphenoxy)methyl]furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[5-[(2-methylphenoxy)methyl]furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[5-[(2-methylphenoxy)methyl]furan-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[5-[(2-methylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[5-[(2-methylphenoxy)methyl]furan-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[5-[(2-methylphenoxy)methyl]-2-furoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H18ClNO5S MolecularWeight: 455.91072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1OCC2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C23H18ClNO5S/c1-13-5-3-4-6-17(13)29-12-15-8-10-18(30-15)22(26)25-14-7-9-16-19(11-14)31-21(20(16)24)23(27)28-2/h3-11H,12H2,1-2H3,(H,25,26)