[4-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(E)-[[(E)-2-benzamido-3-(2-thienyl)prop-2-enoyl]hydrazono]methyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(E)-[[(E)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(E)-[[(E)-2-benzamido-3-(2-thienyl)acryloyl]hydrazono]methyl]phenyl] ester Formula: C32H29N3O4S MolecularWeight: 551.65536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C(=CC3=CC=CS3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)/C(=C\C3=CC=CS3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H29N3O4S/c1-32(2,3)25-15-13-24(14-16-25)31(38)39-26-17-11-22(12-18-26)21-33-35-30(37)28(20-27-10-7-19-40-27)34-29(36)23-8-5-4-6-9-23/h4-21H,1-3H3,(H,34,36)(H,35,37)/b28-20+,33-21+