(Z)-2-methyl-5-[(4-sulfophenyl)carbamoylamino]pent-2-enoate

Systemtic Name: (Z)-2-methyl-5-[(4-sulfophenyl)carbamoylamino]pent-2-enoate Openeye Name: (Z)-2-methyl-5-[(4-sulfophenyl)carbamoylamino]pent-2-enoate CAS Name: (Z)-2-methyl-5-[[oxo-(4-sulfoanilino)methyl]amino]-2-pentenoate IUPAC Name: (Z)-2-methyl-5-[(4-sulfophenyl)carbamoylamino]pent-2-enoate Traditional Name: (Z)-2-methyl-5-[(4-sulfophenyl)carbamoylamino]pent-2-enoate Formula: C13H15N2O6S- MolecularWeight: 327.333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

C/C(=C/CCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)O)/C(=O)[O-]

InChI

InChI=1S/C13H16N2O6S/c1-9(12(16)17)3-2-8-14-13(18)15-10-4-6-11(7-5-10)22(19,20)21/h3-7H,2,8H2,1H3,(H,16,17)(H2,14,15,18)(H,19,20,21)/p-1/b9-3-