(3S)-6,7-dimethoxy-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)phthalide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC4=C(S3)CCCC4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=NC4=C(S3)CCCC4)OC

InChI

InChI=1S/C17H18N2O4S/c1-21-11-8-7-9-13(14(11)22-2)16(20)23-15(9)19-17-18-10-5-3-4-6-12(10)24-17/h7-8,15H,3-6H2,1-2H3,(H,18,19)/t15-/m0/s1