[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)N(CC1=CC=CS1)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)OCC(=O)N(CC1=CC=CS1)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O6S/c1-18(27-26(31)19-6-3-2-4-7-19)14-25(30)34-17-24(29)28(16-21-8-5-13-35-21)20-9-10-22-23(15-20)33-12-11-32-22/h2-10,13,15,18H,11-12,14,16-17H2,1H3,(H,27,31)