3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H23BrN2O3S/c1-12-4-6-14-15(11-23)21(28-19(14)8-12)24-20(25)7-5-13-9-17(26-2)18(27-3)10-16(13)22/h9-10,12H,4-8H2,1-3H3,(H,24,25)