1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-thiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-thiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-2-thienyl]-4-(3,4-dimethoxyphenyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-2-thiophenyl]-4-(3,4-dimethoxyphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chlorothiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-2-thienyl]-4-(3,4-dimethoxyphenyl)butan-1-one Formula: C21H28ClNO4S MolecularWeight: 425.96932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=C(S1)C(=O)CCCC2=CC(=C(C=C2)OC)OC)Cl)(CO)N

Isomeric SMILES

CC(CCC1=C(C=C(S1)C(=O)CCCC2=CC(=C(C=C2)OC)OC)Cl)(CO)N

InChI

InChI=1S/C21H28ClNO4S/c1-21(23,13-24)10-9-19-15(22)12-20(28-19)16(25)6-4-5-14-7-8-17(26-2)18(11-14)27-3/h7-8,11-12,24H,4-6,9-10,13,23H2,1-3H3