(E)-4-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-but-2-enoic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-7-2-3-8-9(6-7)21-14(12(8)13(15)20)16-10(17)4-5-11(18)19/h4-5,7H,2-3,6H2,1H3,(H2,15,20)(H,16,17)(H,18,19)/b5-4+