ethyl (Z)-5-(1,3-benzothiazol-2-yl)-2-methyl-6-phenyl-hex-5-enoate

Systemtic Name: ethyl (Z)-5-(1,3-benzothiazol-2-yl)-2-methyl-6-phenyl-hex-5-enoate Openeye Name: ethyl (Z)-5-(1,3-benzothiazol-2-yl)-2-methyl-6-phenyl-hex-5-enoate CAS Name: (Z)-5-(1,3-benzothiazol-2-yl)-2-methyl-6-phenyl-5-hexenoic acid ethyl ester IUPAC Name: ethyl (Z)-5-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylhex-5-enoate Traditional Name: (Z)-5-(1,3-benzothiazol-2-yl)-2-methyl-6-phenyl-hex-5-enoic acid ethyl ester Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCC(=CC1=CC=CC=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C(C)CC/C(=C/C1=CC=CC=C1)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23NO2S/c1-3-25-22(24)16(2)13-14-18(15-17-9-5-4-6-10-17)21-23-19-11-7-8-12-20(19)26-21/h4-12,15-16H,3,13-14H2,1-2H3/b18-15-