4-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methylamino]quinazoline-2-carboxylate

Systemtic Name: 4-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methylamino]quinazoline-2-carboxylate Openeye Name: 4-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methylamino]quinazoline-2-carboxylate CAS Name: 4-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methylamino]-2-quinazolinecarboxylate IUPAC Name: 4-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methylamino]quinazoline-2-carboxylate Traditional Name: 4-[[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methylamino]quinazoline-2-carboxylate Formula: C24H18N3O2S- MolecularWeight: 412.48362

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=CC=CC=C3S1)CNC4=NC(=NC5=CC=CC=C54)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2[C@@H](C3=CC=CC=C3S1)CNC4=NC(=NC5=CC=CC=C54)C(=O)[O-]

InChI

InChI=1S/C24H19N3O2S/c28-24(29)23-26-20-11-5-3-10-18(20)22(27-23)25-13-19-16-8-2-1-7-15(16)14-30-21-12-6-4-9-17(19)21/h1-12,19H,13-14H2,(H,28,29)(H,25,26,27)/p-1/t19-/m0/s1