1-[8-(3-methoxy-2-oxidanyl-phenyl)-10-thiophen-2-yl-3,7,11-triazaspiro[5.5]undec-10-en-3-yl]ethanone

Systemtic Name: 1-[8-(3-methoxy-2-oxidanyl-phenyl)-10-thiophen-2-yl-3,7,11-triazaspiro[5.5]undec-10-en-3-yl]ethanone Openeye Name: 1-[8-(2-hydroxy-3-methoxy-phenyl)-10-(2-thienyl)-3,7,11-triazaspiro[5.5]undec-10-en-3-yl]ethanone CAS Name: 1-[8-(2-hydroxy-3-methoxyphenyl)-10-thiophen-2-yl-3,7,11-triazaspiro[5.5]undec-10-en-3-yl]ethanone IUPAC Name: 1-[8-(2-hydroxy-3-methoxyphenyl)-10-thiophen-2-yl-3,7,11-triazaspiro[5.5]undec-10-en-3-yl]ethanone Traditional Name: 1-[8-(2-hydroxy-3-methoxy-phenyl)-10-(2-thienyl)-3,7,11-triazaspiro[5.5]undec-10-en-3-yl]ethanone Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2(CC1)NC(CC(=N2)C3=CC=CS3)C4=C(C(=CC=C4)OC)O

Isomeric SMILES

CC(=O)N1CCC2(CC1)NC(CC(=N2)C3=CC=CS3)C4=C(C(=CC=C4)OC)O

InChI

InChI=1S/C21H25N3O3S/c1-14(25)24-10-8-21(9-11-24)22-16(13-17(23-21)19-7-4-12-28-19)15-5-3-6-18(27-2)20(15)26/h3-7,12,16,22,26H,8-11,13H2,1-2H3