3-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[(E)-3-[4-(hexadecylamino)phenyl]-1-oxoprop-2-enyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[(E)-3-[4-(cetylamino)phenyl]acryloyl]thiazolidine-4-carboxylic acid Formula: C29H46N2O3S MolecularWeight: 502.75214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C=CC(=O)N2CSCC2C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)/C=C/C(=O)N2CSCC2C(=O)O

InChI

InChI=1S/C29H46N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30-26-19-16-25(17-20-26)18-21-28(32)31-24-35-23-27(31)29(33)34/h16-21,27,30H,2-15,22-24H2,1H3,(H,33,34)/b21-18+