(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(diethylamino)-2-methoxy-phenyl]prop-2-enoate

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(diethylamino)-2-methoxy-phenyl]prop-2-enoate Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(diethylamino)-2-methoxy-phenyl]prop-2-enoate CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(diethylamino)-2-methoxyphenyl]-2-propenoate IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(diethylamino)-2-methoxyphenyl]prop-2-enoate Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(diethylamino)-2-methoxy-phenyl]acrylate Formula: C21H21N2O4S- MolecularWeight: 397.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)/C=C(/C(=O)[O-])\SC2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C21H22N2O4S/c1-4-23(5-2)15-11-10-14(18(13-15)26-3)12-19(20(24)25)28-21-22-16-8-6-7-9-17(16)27-21/h6-13H,4-5H2,1-3H3,(H,24,25)/p-1/b19-12-