2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-5,6-dimethoxy-indan-1-one CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-5,6-dimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-5,6-dimethoxy-indan-1-one Formula: C18H14ClNO4S MolecularWeight: 375.82606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC4=C(O3)C=CC(=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC4=C(O3)C=CC(=C4)Cl)OC

InChI

InChI=1S/C18H14ClNO4S/c1-22-14-5-9-6-16(17(21)11(9)8-15(14)23-2)25-18-20-12-7-10(19)3-4-13(12)24-18/h3-5,7-8,16H,6H2,1-2H3