4-azanyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]butyric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-7-2-3-10-8(4-7)5-11(21-10)13(18)16-9(14(19)20)6-12(15)17/h5,7,9H,2-4,6H2,1H3,(H2,15,17)(H,16,18)(H,19,20)