(3Z)-6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-3-(phenylmethylidene)-2,1-benzothiazin-4-one

Systemtic Name: (3Z)-6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-3-(phenylmethylidene)-2,1-benzothiazin-4-one Openeye Name: (3Z)-3-benzylidene-6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-2,1-benzothiazin-4-one CAS Name: (3Z)-6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-3-(phenylmethylene)-2,1-benzothiazin-4-one IUPAC Name: (3Z)-3-benzylidene-6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-2,1-benzothiazin-4-one Traditional Name: (3Z)-3-benzal-6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-2,1-benzothiazin-4-one Formula: C26H21NO2S MolecularWeight: 411.51544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCC3=CC=C(C=C3)OC)C(=O)C(=CC4=CC=CC=C4)S1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CCC3=CC=C(C=C3)OC)C(=O)/C(=C/C4=CC=CC=C4)/S1

InChI

InChI=1S/C26H21NO2S/c1-27-24-16-13-21(10-6-9-19-11-14-22(29-2)15-12-19)17-23(24)26(28)25(30-27)18-20-7-4-3-5-8-20/h3-5,7-8,11-18H,9H2,1-2H3/b25-18-