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

Systemtic Name: (E)-4-[(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-but-2-enoic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-2-8-3-4-9-10(7-8)22-15(13(9)14(16)21)17-11(18)5-6-12(19)20/h5-6,8H,2-4,7H2,1H3,(H2,16,21)(H,17,18)(H,19,20)/b6-5+