2-(4-methoxyphenyl)-3-nitro-5H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(4-methoxyphenyl)-3-nitro-5H-1,5-benzothiazepin-4-one Openeye Name: 2-(4-methoxyphenyl)-3-nitro-5H-1,5-benzothiazepin-4-one CAS Name: 2-(4-methoxyphenyl)-3-nitro-5H-1,5-benzothiazepin-4-one IUPAC Name: 2-(4-methoxyphenyl)-3-nitro-5H-1,5-benzothiazepin-4-one Traditional Name: 2-(4-methoxyphenyl)-3-nitro-5H-1,5-benzothiazepin-4-one Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-22-11-8-6-10(7-9-11)15-14(18(20)21)16(19)17-12-4-2-3-5-13(12)23-15/h2-9H,1H3,(H,17,19)