3-[[(E)-3-azanyl-1-chloranyl-1-methylimino-but-2-en-2-yl]sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[(E)-3-azanyl-1-chloranyl-1-methylimino-but-2-en-2-yl]sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[(E)-2-amino-1-(C-chloro-N-methyl-carbonimidoyl)prop-1-enyl]sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(E)-3-amino-1-chloro-1-methyliminobut-2-en-2-yl]sulfonylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[(E)-3-amino-1-chloro-1-methyliminobut-2-en-2-yl]sulfonylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[(E)-2-amino-1-(C-chloro-N-methyl-carbonimidoyl)prop-1-enyl]sulfonylamino]-5-phenyl-2-thenoic acid Formula: C16H16ClN3O4S2 MolecularWeight: 413.89894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=NC)Cl)S(=O)(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

C/C(=C(/C(=NC)Cl)\S(=O)(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)/N

InChI

InChI=1S/C16H16ClN3O4S2/c1-9(18)14(15(17)19-2)26(23,24)20-11-8-12(25-13(11)16(21)22)10-6-4-3-5-7-10/h3-8,20H,18H2,1-2H3,(H,21,22)/b14-9+,19-15?