3-[(E)-2-benzamido-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[(E)-2-benzamido-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[(E)-2-benzamido-3-(4,5-dihydrothiazol-2-ylamino)prop-2-enoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[(E)-2-benzamido-3-(4,5-dihydrothiazol-2-ylamino)-1-oxoprop-2-enyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[(E)-2-benzamido-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[(E)-2-benzamido-3-(2-thiazolin-2-ylamino)acryloyl]thiazolidine-4-carboxylic acid Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NC=C(C(=O)N2CSCC2C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CSC(=N1)N/C=C(\C(=O)N2CSCC2C(=O)O)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O4S2/c22-14(11-4-2-1-3-5-11)20-12(8-19-17-18-6-7-27-17)15(23)21-10-26-9-13(21)16(24)25/h1-5,8,13H,6-7,9-10H2,(H,18,19)(H,20,22)(H,24,25)/b12-8+