(3S)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[[4-(4-bromophenyl)thiazol-2-yl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: (3S)-3-[[4-(4-bromophenyl)-2-thiazolyl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[[4-(4-bromophenyl)thiazol-2-yl]amino]-6,7-dimethoxy-phthalide Formula: C19H15BrN2O4S MolecularWeight: 447.3024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C19H15BrN2O4S/c1-24-14-8-7-12-15(16(14)25-2)18(23)26-17(12)22-19-21-13(9-27-19)10-3-5-11(20)6-4-10/h3-9,17H,1-2H3,(H,21,22)/t17-/m0/s1