methyl [[2-[[(E)-but-2-enoyl]amino]-5-(phenylcarbonyl)phenyl]carbamoylamino]sulfanylmethanoate

Systemtic Name: methyl [[2-[[(E)-but-2-enoyl]amino]-5-(phenylcarbonyl)phenyl]carbamoylamino]sulfanylmethanoate Openeye Name: methyl [[5-benzoyl-2-[[(E)-but-2-enoyl]amino]phenyl]carbamoylamino]sulfanylformate CAS Name: [[[[5-benzoyl-2-[[(E)-1-oxobut-2-enyl]amino]anilino]-oxomethyl]amino]thio]formic acid methyl ester IUPAC Name: methyl [[5-benzoyl-2-[[(E)-but-2-enoyl]amino]phenyl]carbamoylamino]sulfanylformate Traditional Name: [[[5-benzoyl-2-[[(E)-but-2-enoyl]amino]phenyl]carbamoylamino]thio]formic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)NC(=O)NSC(=O)OC

Isomeric SMILES

C/C=C/C(=O)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)NC(=O)NSC(=O)OC

InChI

InChI=1S/C20H19N3O5S/c1-3-7-17(24)21-15-11-10-14(18(25)13-8-5-4-6-9-13)12-16(15)22-19(26)23-29-20(27)28-2/h3-12H,1-2H3,(H,21,24)(H2,22,23,26)/b7-3+