(E)-3-[2,6-bis(chloranyl)-4-[[4-[3-(1-cyclohexylpropoxymethyl)-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-(1-cyclohexylpropoxymethyl)-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-(1-cyclohexylpropoxymethyl)-2-methoxy-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2,6-dichloro-4-[[[4-[3-(1-cyclohexylpropoxymethyl)-2-methoxyphenyl]-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[3-(1-cyclohexylpropoxymethyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2,6-dichloro-4-[[4-[3-(1-cyclohexylpropoxymethyl)-2-methoxy-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-acrylic acid Formula: C31H34Cl2N2O5S MolecularWeight: 617.58306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)OCC2=CC=CC(=C2OC)C3=CSC(=N3)NC(=O)C4=CC(=C(C(=C4)Cl)C=C(C)C(=O)O)Cl

Isomeric SMILES

CCC(C1CCCCC1)OCC2=CC=CC(=C2OC)C3=CSC(=N3)NC(=O)C4=CC(=C(C(=C4)Cl)/C=C(\C)/C(=O)O)Cl

InChI

InChI=1S/C31H34Cl2N2O5S/c1-4-27(19-9-6-5-7-10-19)40-16-20-11-8-12-22(28(20)39-3)26-17-41-31(34-26)35-29(36)21-14-24(32)23(25(33)15-21)13-18(2)30(37)38/h8,11-15,17,19,27H,4-7,9-10,16H2,1-3H3,(H,37,38)(H,34,35,36)/b18-13+