6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCCC2=NC3=CC=CC=C3S2)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNCCC2=NC3=CC=CC=C3S2)C(=O)C=C1

InChI

InChI=1S/C17H16N2O2S/c1-21-13-6-7-15(20)12(10-13)11-18-9-8-17-19-14-4-2-3-5-16(14)22-17/h2-7,10-11,18H,8-9H2,1H3