2-(2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-ylcarbonylamino)ethanoic acid

Systemtic Name: 2-(2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-ylcarbonylamino)ethanoic acid Openeye Name: 2-(2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carbonylamino)acetic acid CAS Name: 2-[[2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-yl(oxo)methyl]amino]acetic acid IUPAC Name: 2-(2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carbonylamino)acetic acid Traditional Name: 2-(2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-carbonylamino)acetic acid Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1)OC=C3C=C(C=CC3S2)C(=O)NCC(=O)O

Isomeric SMILES

C1CC2=C(C=C1)OC=C3C=C(C=CC3S2)C(=O)NCC(=O)O

InChI

InChI=1S/C16H15NO4S/c18-15(19)8-17-16(20)10-5-6-13-11(7-10)9-21-12-3-1-2-4-14(12)22-13/h1,3,5-7,9,13H,2,4,8H2,(H,17,20)(H,18,19)