4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]amino]-4-keto-butyrate Formula: C16H15N2O5S- MolecularWeight: 347.3657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CSC(=N3)NC(=O)CCC(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CSC(=N3)NC(=O)CCC(=O)[O-])OC1

InChI

InChI=1S/C16H16N2O5S/c19-14(4-5-15(20)21)18-16-17-11(9-24-16)10-2-3-12-13(8-10)23-7-1-6-22-12/h2-3,8-9H,1,4-7H2,(H,20,21)(H,17,18,19)/p-1