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

Systemtic Name: ethyl 3-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Openeye Name: ethyl 3-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]thiazolidine-4-carboxylate CAS Name: 3-[(E)-3-[4-(hexadecylamino)phenyl]-1-oxoprop-2-enyl]-4-thiazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Traditional Name: 3-[(E)-3-[4-(cetylamino)phenyl]acryloyl]thiazolidine-4-carboxylic acid ethyl ester Formula: C31H50N2O3S MolecularWeight: 530.8053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50N2O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-32-28-21-18-27(19-22-28)20-23-30(34)33-26-37-25-29(33)31(35)36-4-2/h18-23,29,32H,3-17,24-26H2,1-2H3/b23-20+