[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (E)-2-acetamido-3-phenyl-acrylic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C25H19ClN2O4S MolecularWeight: 478.94736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN2O4S/c1-16(29)27-19(13-17-7-3-2-4-8-17)25(31)32-15-24(30)28-20-9-5-6-10-22(20)33-23-12-11-18(26)14-21(23)28/h2-14H,15H2,1H3,(H,27,29)/b19-13+