2-[6-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-ethoxycarbonyl-3-methyl-butyl)amino]-5-oxo-2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-5-oxo-2-thiophen-3-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-methyl-butyl)amino]-5-keto-2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid Formula: C19H28N2O5S2 MolecularWeight: 428.56602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC1CSC(CN(C1=O)CC(=O)O)C2=CSC=C2

Isomeric SMILES

CCOC(=O)C(CC(C)C)NC1CSC(CN(C1=O)CC(=O)O)C2=CSC=C2

InChI

InChI=1S/C19H28N2O5S2/c1-4-26-19(25)14(7-12(2)3)20-15-11-28-16(13-5-6-27-10-13)8-21(18(15)24)9-17(22)23/h5-6,10,12,14-16,20H,4,7-9,11H2,1-3H3,(H,22,23)