2-azanyl-8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 2-azanyl-8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 2-amino-8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 2-amino-8-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-4-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 2-amino-8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 2-amino-8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2C3C(=C(C(=C(O3)N)C4=NC5=CC=CC=C5S4)O)CCC2=O

Isomeric SMILES

C1CCCN(CC1)CC2C3C(=C(C(=C(O3)N)C4=NC5=CC=CC=C5S4)O)CCC2=O

InChI

InChI=1S/C23H27N3O3S/c24-22-19(23-25-16-7-3-4-8-18(16)30-23)20(28)14-9-10-17(27)15(21(14)29-22)13-26-11-5-1-2-6-12-26/h3-4,7-8,15,21,28H,1-2,5-6,9-13,24H2