8-ethyl-9-(phenylmethyl)-3,5-dihydro-2H-pyrimido[1,2-c][1,5,3]oxathiazepin-7-one

Systemtic Name: 8-ethyl-9-(phenylmethyl)-3,5-dihydro-2H-pyrimido[1,2-c][1,5,3]oxathiazepin-7-one Openeye Name: 9-benzyl-8-ethyl-3,5-dihydro-2H-pyrimido[1,2-c][1,5,3]oxathiazepin-7-one CAS Name: 8-ethyl-9-(phenylmethyl)-3,5-dihydro-2H-pyrimido[1,2-c][1,5,3]oxathiazepin-7-one IUPAC Name: 9-benzyl-8-ethyl-3,5-dihydro-2H-pyrimido[1,2-c][1,5,3]oxathiazepin-7-one Traditional Name: 9-benzyl-8-ethyl-3,5-dihydro-2H-pyrimido[1,2-c][1,5,3]oxathiazepin-7-one Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2N(C1=O)COCCS2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(N=C2N(C1=O)COCCS2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O2S/c1-2-13-14(10-12-6-4-3-5-7-12)17-16-18(15(13)19)11-20-8-9-21-16/h3-7H,2,8-11H2,1H3