2-azanyl-4-[5-[4-(3-methoxyphenyl)pent-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol

Systemtic Name: 2-azanyl-4-[5-[4-(3-methoxyphenyl)pent-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol Openeye Name: 2-amino-4-[5-[4-(3-methoxyphenyl)pent-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol CAS Name: 2-amino-4-[5-[4-(3-methoxyphenyl)pent-1-ynyl]-2-thiophenyl]-2-methyl-1-butanol IUPAC Name: 2-amino-4-[5-[4-(3-methoxyphenyl)pent-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol Traditional Name: 2-amino-4-[5-[4-(3-methoxyphenyl)pent-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC1=CC=C(S1)CCC(C)(CO)N)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(CC#CC1=CC=C(S1)CCC(C)(CO)N)C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H27NO2S/c1-16(17-7-5-8-18(14-17)24-3)6-4-9-19-10-11-20(25-19)12-13-21(2,22)15-23/h5,7-8,10-11,14,16,23H,6,12-13,15,22H2,1-3H3