(E)-3-[2,6-bis(chloranyl)-4-[[4-[3-(hexoxymethyl)-2-methoxy-phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[2,6-bis(chloranyl)-4-[[4-[3-(hexoxymethyl)-2-methoxy-phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[2,6-dichloro-4-[[4-[3-(hexoxymethyl)-2-methoxy-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2,6-dichloro-4-[[[4-[3-(hexoxymethyl)-2-methoxyphenyl]-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[3-(hexoxymethyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2,6-dichloro-4-[[4-[3-(hexoxymethyl)-2-methoxy-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-acrylic acid Formula: C28H30Cl2N2O5S MolecularWeight: 577.5192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)C=C(C)C(=O)O)Cl

Isomeric SMILES

CCCCCCOCC1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)/C=C(\C)/C(=O)O)Cl

InChI

InChI=1S/C28H30Cl2N2O5S/c1-4-5-6-7-11-37-15-18-9-8-10-20(25(18)36-3)24-16-38-28(31-24)32-26(33)19-13-22(29)21(23(30)14-19)12-17(2)27(34)35/h8-10,12-14,16H,4-7,11,15H2,1-3H3,(H,34,35)(H,31,32,33)/b17-12+