3-(1,3-benzothiazol-2-yl)-4,4-diethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4,4-diethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-4,4-diethoxy-cyclohexa-2,5-dien-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-4,4-diethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4,4-diethoxycyclohexa-2,5-dien-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-4,4-diethoxy-cyclohexa-2,5-dien-1-one Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C=CC(=O)C=C1C2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOC1(C=CC(=O)C=C1C2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C17H17NO3S/c1-3-20-17(21-4-2)10-9-12(19)11-13(17)16-18-14-7-5-6-8-15(14)22-16/h5-11H,3-4H2,1-2H3