(2S,3'R)-3'-(4-methoxyphenyl)spiro[1-benzofuran-2,2'-3,4-dihydro-1,4-benzothiazine]-3-one

Systemtic Name: (2S,3'R)-3'-(4-methoxyphenyl)spiro[1-benzofuran-2,2'-3,4-dihydro-1,4-benzothiazine]-3-one Openeye Name: (2S,3R)-3-(4-methoxyphenyl)spiro[3,4-dihydro-1,4-benzothiazine-2,2'-benzofuran]-3'-one CAS Name: (2S,3R)-3-(4-methoxyphenyl)-3'-spiro[3,4-dihydro-1,4-benzothiazine-2,2'-benzofuran]one IUPAC Name: (2S,3'R)-3'-(4-methoxyphenyl)spiro[1-benzofuran-2,2'-3,4-dihydro-1,4-benzothiazine]-3-one Traditional Name: (2S,3R)-3-(4-methoxyphenyl)spiro[3,4-dihydro-1,4-benzothiazine-2,2'-coumaran]-3'-one Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3(C(=O)C4=CC=CC=C4O3)SC5=CC=CC=C5N2

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@]3(C(=O)C4=CC=CC=C4O3)SC5=CC=CC=C5N2

InChI

InChI=1S/C22H17NO3S/c1-25-15-12-10-14(11-13-15)20-22(27-19-9-5-3-7-17(19)23-20)21(24)16-6-2-4-8-18(16)26-22/h2-13,20,23H,1H3/t20-,22+/m1/s1