5-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=CC=C4OC)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)C(=C2C[C@H](SC3=CC=CC=C3N2)C4=CC=CC=C4OC)C(=O)NC1=S

InChI

InChI=1S/C21H19N3O3S2/c1-24-20(26)18(19(25)23-21(24)28)14-11-17(12-7-3-5-9-15(12)27-2)29-16-10-6-4-8-13(16)22-14/h3-10,17,22H,11H2,1-2H3,(H,23,25,28)/t17-/m0/s1