16-methoxy-15-methyl-10,18-bis(oxidanyl)-7,13-bis(oxidanylidene)-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid

Systemtic Name: 16-methoxy-15-methyl-10,18-bis(oxidanyl)-7,13-bis(oxidanylidene)-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Openeye Name: 10,18-dihydroxy-16-methoxy-15-methyl-7,13-dioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid CAS Name: 10,18-dihydroxy-16-methoxy-15-methyl-7,13-dioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid IUPAC Name: 10,18-dihydroxy-16-methoxy-15-methyl-7,13-dioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Traditional Name: 10,18-dihydroxy-7,13-diketo-16-methoxy-15-methyl-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Formula: C18H23NO8S MolecularWeight: 413.44212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=O)OCC(CCC(=O)NC(CSC2)C(=O)O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C2=C1C(=O)OCC(CCC(=O)NC(CSC2)C(=O)O)O)O)OC

InChI

InChI=1S/C18H23NO8S/c1-9-14(26-2)5-13(21)11-7-28-8-12(17(23)24)19-15(22)4-3-10(20)6-27-18(25)16(9)11/h5,10,12,20-21H,3-4,6-8H2,1-2H3,(H,19,22)(H,23,24)