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

Systemtic Name: 4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid Openeye Name: 4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-(3-hydroxypropylamino)-4-oxo-butanoic acid CAS Name: 4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(3-hydroxypropylamino)-4-oxobutanoic acid IUPAC Name: 4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(3-hydroxypropylamino)-4-oxobutanoic acid Traditional Name: 4-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-(3-hydroxypropylamino)-4-keto-butyric acid Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC(C(=O)O)NCCCO

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC(C(=O)O)NCCCO

InChI

InChI=1S/C18H26N2O6S/c1-2-26-18(25)15-11-6-3-4-7-13(11)27-16(15)20-14(22)10-12(17(23)24)19-8-5-9-21/h12,19,21H,2-10H2,1H3,(H,20,22)(H,23,24)