[3-tert-butyl-5-(dimethylaminomethyl)-4-oxidanyl-phenyl]-(3-chloranylthiophen-2-yl)methanone

Systemtic Name: [3-tert-butyl-5-(dimethylaminomethyl)-4-oxidanyl-phenyl]-(3-chloranylthiophen-2-yl)methanone Openeye Name: [3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxy-phenyl]-(3-chloro-2-thienyl)methanone CAS Name: [3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxyphenyl]-(3-chloro-2-thiophenyl)methanone IUPAC Name: [3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxyphenyl]-(3-chlorothiophen-2-yl)methanone Traditional Name: [3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxy-phenyl]-(3-chloro-2-thienyl)methanone Formula: C18H22ClNO2S MolecularWeight: 351.89078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)CN(C)C)C(=O)C2=C(C=CS2)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)CN(C)C)C(=O)C2=C(C=CS2)Cl

InChI

InChI=1S/C18H22ClNO2S/c1-18(2,3)13-9-11(8-12(15(13)21)10-20(4)5)16(22)17-14(19)6-7-23-17/h6-9,21H,10H2,1-5H3