3-chloranyl-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-6-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-(3,4-dimethoxyphenyl)isoxazol-5-yl]-6-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-(3,4-dimethoxyphenyl)-5-isoxazolyl]-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-(3,4-dimethoxyphenyl)isoxazol-5-yl]-6-methyl-benzothiophene-2-carboxamide Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=NO3)C4=CC(=C(C=C4)OC)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=NO3)C4=CC(=C(C=C4)OC)OC)Cl

InChI

InChI=1S/C21H17ClN2O4S/c1-11-4-6-13-17(8-11)29-20(19(13)22)21(25)23-18-10-14(24-28-18)12-5-7-15(26-2)16(9-12)27-3/h4-10H,1-3H3,(H,23,25)