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

Systemtic Name: 4-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-butyric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-7-2-3-8-9(6-7)21-14(12(8)13(15)20)16-10(17)4-5-11(18)19/h7H,2-6H2,1H3,(H2,15,20)(H,16,17)(H,18,19)